EGF-05888 Red
Cc1cccc(N(C(=O)CCC(=O)N=c2cc(C)o[nH]2)C(C(=O)NC2CCCCCC2)c2c(F)cccc2Cl)c1
0.203
Platform Score
2D Structure
C30H34ClFN4O4 | Exact mass: 568.2253
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
108
TPSA
569
MW
2
HBD
5.8
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (PDB: 1M17) |
| Selective | No |
Selectivity Profile
ADMET Profile
| BBB (BOILED-Egg) | BBB- (non-penetrant) |
| ADMET Status | Pass (no hard fails) |
CNS Drug-Likeness
Physicochemical Properties
| Molecular Weight | 569.10 Da |
| TPSA | 107.8 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 5.84 |
| Fsp3 | 0.400 |
| Rotatable Bonds | 8 |
| Rings | 4 (3 aromatic) |
| QED | 0.333 |
| SA Score | 3.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H34ClFN4O4 |
| Exact Mass | 568.2253 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |